Geometry & MOs

Info

ID:	333669
PubChem CID:	127252221
Reduced:	O2F3N5C21H22 (1)
Stoich.:	A2B3C5D21E22 (1)
Weight, g/mol:	433.172559
ΔH_f, kcal/mol:	-135.84
Dipole, Da:	4.49
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-pyrazin-2-ylmorpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C3=NC=CN=C3)CCOC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations